KEGG   COMPOUND: C09560
Entry
C09560                      Compound                               
Name
Tetraneurin E;
Ambrosanolide
Formula
C17H24O6
Exact mass
324.1573
Mol weight
324.3689
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Pseudoguaianolide
    C09560  Tetraneurin E
Other DBs
CAS: 25383-30-6
PubChem: 11751
ChEBI: 9499
KNApSAcK: C00003374
3DMET: B03080
NIKKAJI: J17.337A
LinkDB
KCF data

ATOM        23
            1   C7a C    22.2808  -17.4707
            2   O7a O    23.6911  -16.6657
            3   C1a C    21.0805  -16.7777
            4   O6a O    22.2808  -18.8566
            5   C1z C    25.7730  -15.3317
            6   C1y C    26.6502  -16.4080
            7   C1z C    26.0676  -13.9775
            8   C1y C    24.3899  -15.4664
            9   C1a C    24.7357  -16.6237
            10  C1y C    28.0464  -16.3919
            11  O7x O    26.2299  -17.7430
            12  C1y C    27.3166  -13.3565
            13  C1x C    24.8680  -13.2725
            14  O1a O    26.0029  -12.5546
            15  C1x C    23.8310  -14.1956
            16  C2y C    28.4902  -17.7126
            17  C1x C    28.8944  -15.2915
            18  C7x C    27.3715  -18.5487
            19  C1x C    28.5785  -13.9432
            20  C1b C    27.3840  -11.9591
            21  C2a C    29.8154  -18.1267
            22  O6a O    27.3858  -19.9368
            23  O1a O    28.6105  -11.3302
BOND        25
            1     1   3 1
            2     1   2 1
            3     1   4 2
            4     5   6 1
            5     5   7 1
            6     5   8 1
            7     5   9 1 #Up
            8     6  10 1
            9     6  11 1
            10    7  12 1
            11    7  13 1
            12    7  14 1 #Down
            13    8  15 1
            14    8   2 1 #Up
            15   10  16 1
            16   10  17 1
            17   11  18 1
            18   12  19 1
            19   12  20 1 #Up
            20   16  21 2
            21   18  22 2
            22   20  23 1
            23   13  15 1
            24   16  18 1
            25   17  19 1

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